SCOPUS 정보 검색 플랫폼

Journal of Computer-Aided Molecular Design

Volumn 15, Issue 10, 2001, Pages 935-960

Functional group placement in protein binding sites: A comparison of GRID and MCSS

(4) Bitetti Putzer, Ryan a,b,c Joseph McCarthy, Diane c,d Hogle, James M a,c Karplus, Martin a,c,e

a HARVARD UNIVERSITY (United States)

b HARVARD UNIVERSITY (United States)

c HARVARD MEDICAL SCHOOL (United States)

d PFIZER INC (United States)

e UNIVERSITÉ LOUIS PASTEUR (France)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BINDING SITES; HYDROGEN; HYDROGEN BONDS; LIGANDS; POTENTIAL ENERGY; PROTEINS;

BINDING-SITES; HYDROPHOBIC POCKETS; LIGAND DESIGN; LOCAL POTENTIALS; NON-POLAR; OPTIMAL LOCATIONS; POLAR FUNCTIONAL GROUPS; POLIO VIRUS; POTENTIAL ENERGY MINIMA; PROTEIN-BINDING SITES;

LEAD COMPOUNDS;

ANTIVIRUS AGENT; CAPSID PROTEIN; CYCLOHEXANE; ETHER; FUNCTIONAL GROUP; LIGAND; METHANE; METHANOL; PHENOL; PIPERIDINE DERIVATIVE; PYRAZINE DERIVATIVE; R78206; UNCLASSIFIED DRUG; WATER;

ALGORITHM; ARTICLE; ATOM; BINDING SITE; CALCULATION; CHEMICAL INTERACTION; CONTROLLED STUDY; DRUG STRUCTURE; ELECTRICITY; HYDROGEN BOND; HYDROPHOBICITY; INTERMETHOD COMPARISON; MACROMOLECULE; MATHEMATICAL COMPUTING; POLARIZATION; POLIOMYELITIS VIRUS; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN DOMAIN;

EID: 0035570220 PISSN: 0920654X EISSN: None Source Type: Journal
DOI: 10.1023/A:1014309222984 Document Type: Article

Times cited : (26)

References (32)

1
- 0021871375
- (1985) J. Med. Chem. , vol.28 , pp. 849
- Goodford, P.J.¹

2
- 0024566942
- (1989) J. Med. Chem. , vol.32 , pp. 1083
- Boobbyer, D.N.A.¹ Goodford, P.J.² McWhinnie, P.M.³ Wade, R.C.⁴

3
- 0027439587
- (1993) J. Med. Chem. , vol.36 , pp. 140
- Wade, R.C.¹ Clark, K.J.² Goodford, P.J.³

4
- 0027510004
- (1993) J. Med. Chem. , vol.36 , pp. 148
- Wade, R.C.¹ Goodford, P.J.²

5
- 2042482702
- MCSSv2, Harvard University
- (1997)
- Evensen, E.¹ Joseph-McCarthy, D.² Karplus, M.³

6
- 0025916872
- (1991) Proteins , vol.11 , pp. 29
- Miranker, A.¹ Karplus, M.²

7
- 0027219536
- (1993) J. Med. Chem. , vol.36 , pp. 2142
- Caflisch, A.¹ Miranker, A.² Karplus, M.³

8
- 34249753351
- (1995) Perspectives in Drug Discovery and Design , vol.3 , pp. 51
- Caflisch, A.¹ Karplus, M.²

9
- 0028805201
- (1995) Proteins , vol.23 , pp. 264
- Jedrzejas, M.J.¹ Singh, S.² Brouillette, W.J.³ Air, G.M.⁴ Luo, M.⁵

10
- 0030044141
- (1996) J. Med. Chem. , vol.39 , pp. 388
- vonItzstein, M.¹ Dyason, J.² Oliver, S.³ White, H.⁴ Wu, W.⁵ Kok, G.⁶ Pegg, M.⁷

11
- 0025737742
- (1991) J. Med. Chem. , vol.34 , pp. 1925
- Appelt, K.¹ Bacquet, R.J.² Bartlett, C.A.³ Booth, C.L.J.⁴ Freer, S.T.⁵ Fuhry, M.A.M.⁶ Gehring, M.R.⁷ Herrmann, S.M.⁸ Howland, E.F.⁹ Jansen, C.A.¹⁰ Reddy, M.R.¹¹ Reich, S.H.¹² Schoettlin, W.S.¹³ Smith, W.W.¹⁴ Varney, M.D.¹⁵ Villafranca, S.E.¹⁶ Welsh, K.M.¹⁷ White, J.¹⁸

12
- 2042539301
- Edition 16.
- GRID User Manual
- Goodford, P.J.¹

13
- 0030963674
- (1997) Proteins , vol.29 , pp. 32
- Joseph-McCarthy, D.¹ Hogle, J.M.² Karplus, M.³

14
- 0022409872
- (1985) Science , vol.229 , pp. 1358
- Hogle, J.M.¹ Chow, M.² Filman, D.J.³

15
- 0024316730
- (1989) EMBO J. , vol.8 , pp. 1567
- Filman, D.J.¹ Syed, R.² Chow, M.³ Macadam, A.J.⁴ Minor, P.D.⁵ Hogle, J.M.⁶

16
- 0028506672
- (1994) Curr. Biol. , vol.4 , pp. 784
- Grant, R.A.¹ Hiremath, C.N.² Filman, D.J.³ Syed, R.⁴ Andries, K.⁵ Hogle, J.M.⁶

17
- 0006344586
- (1995) Acta Cryst. , vol.51 D , pp. 473
- Hiremath, C.¹ Grant, R.A.² Filman, D.J.³ Hogle, J.M.⁴

18
- 0030931917
- (1997) Acta Cryst. , vol.53 D , pp. 558
- Hiremath, C.N.¹ Filman, D.J.² Grant, R.A.³ Hogle, J.M.⁴

19
- 0022401514
- (1985) Nature , vol.317 , pp. 145
- Rossmann, M.G.¹ Arnold, E.² Erickson, J.W.³ Frankenberger, E.A.⁴ Griffith, J.P.⁵ Hecht, H.-J.⁶ Johnson, A.⁷ Kamer, G.⁸ Luo, M.⁹ Mosser, A.G.¹⁰ Rueckert, R.R.¹¹ Sherry, B.¹² Vriend, G.¹³

20
- 0027459472
- (1993) J. Mol. Biol. , vol.230 , pp. 206
- Kim, K.H.¹ Willingmann, P.² Gong, Z.X.³ Kremer, M.J.⁴ Chapman, M.S.⁵ Minor, I.⁶ Oliveira, M.A.⁷ Rossmann, M.G.⁸ Andries, K.⁹ Diana, G.D.¹⁰ Dutko, F.J.¹¹ McKinlay, M.A.¹² Pevear, D.C.¹³

21
- 0001158480
- (1988) Proc. Natl. Acad. Sci. USA , vol.85 , pp. 3304
- Badger, J.¹ Minor, I.² Kremer, M.J.³ Oliveira, M.A.⁴ Smith, T.J.⁵ Griffith, J.P.⁶ Guerin, D.M.A.⁷ Krishnaswamy, S.⁸ Luo, M.⁹ Rossmann, M.G.¹⁰ McKinlay, M.A.¹¹ Diana, G.D.¹² Dutko, F.J.¹³ Fancher, M.¹⁴ Rueckert, R.R.¹⁵ Heinz, B.A.¹⁶

22
- 0024454604
- (1989) Proteins , vol.6 , pp. 1
- Badger, J.¹ Minor, I.² Oliveira, M.A.³ Smith, T.J.⁴ Rossmann, M.G.⁵

23
- 0030220960
- (1996) Chem. Biol. , vol.3 , pp. 661
- Feng, S.¹ Kapoor, T.M.² Shirai, F.³ Combs, A.P.⁴ Schreiber, S.L.⁵

25
- 0023140814
- (1987) Science , vol.235 , pp. 458
- Brünger, A.T.¹ Kuriyan, J.² Karplus, M.³

26
- 84986512474
- (1983) J. Comp. Chem. , vol.4 , pp. 187
- Brooks, B.R.¹ Bruccoleri, R.E.² Olafson, B.D.³ States, D.J.⁴ Swaminathan, S.⁵ Karplus, M.⁶

27
- 0025600834
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 9161
- Elber, R.¹ Karplus, M.²

28
- 0000036869
- (1996) J. Chem. Phys. , vol.105 , pp. 1902
- Neria, E.¹ Fischer, S.² Karplus, M.³

29
- 0037571112
- (1996) J. Comput. Chem. , vol.17 , pp. 490
- Halgren, T.A.¹

30
- 0028282687
- (1994) Proteins , vol.19 , pp. 199
- Eisen, M.B.¹ Wiley, D.C.² Karplus, M.³ Hubbard, R.E.⁴

31
- 0029586802
- (1995) Proteins , vol.23 , pp. 472
- Miranker, A.¹ Karplus, M.²

32
- 0035110357
- (2001) Chem. Biol. , vol.8 , pp. 33
- Tsang, S.K.¹ Cheh, J.² Isaacs, L.³ Joseph-McCarthy, D.⁴ Choi, S.K.⁵ Pevear, D.C.⁶ Whitesides, G.M.⁷ Hogle, J.M.⁸

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.